1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine

C12H19N5O — CID 43647706

IUPAC1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCCc1nnc(Cn2nc(C)c(CNC)c2C)o1
InChIInChI=1S/C12H19N5O/c1-5-11-14-15-12(18-11)7-17-9(3)10(6-13-4)8(2)16-17/h13H,5-7H2,1-4H3
InChIKeyWOESSSJVHYBASU-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.21
Rot. Bonds5

About 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine

1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 43647706) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
PubChem CID43647706
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCCc1nnc(Cn2nc(C)c(CNC)c2C)o1
InChIInChI=1S/C12H19N5O/c1-5-11-14-15-12(18-11)7-17-9(3)10(6-13-4)8(2)16-17/h13H,5-7H2,1-4H3
InChIKeyWOESSSJVHYBASU-UHFFFAOYSA-N
XLogP1.21
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 49670611
5-[(dimethylamino)methyl]-N-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
CID 56875082
2-pyrrolidin-1-yl-N-[1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 90651232
N~1~-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N~2~-methyl-L-alaninamide
CID 91838299
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(3-methyl-4,5-dihydro-1H-pyrazol-1-yl)acetamide
CID 56872734
2-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-tert-butyl-1,3,4-oxadiazole
CID 71864005
5-Cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide
CID 117792353
5-Cyclopropyl-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboximidamide;hydrochloride
CID 130404047
2-[(1,3,5-Trimethylpyrazol-4-yl)methylamino]acetamide
CID 28607436
N-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 43214548
N,N-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 43214590
N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 43224083

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine (CID 43647706) is 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine is CCc1nnc(Cn2nc(C)c(CNC)c2C)o1.
What is the InChIKey of 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is WOESSSJVHYBASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-11-14-15-12(18-11)7-17-9(3)10(6-13-4)8(2)16-17/h13H,5-7H2,1-4H3.
What are the key properties of 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 249.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 43647706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).